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N-[4-[[bis(azanyl)methylideneamino]methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide hydrochloride

N-[4-[[bis(azanyl)methylideneamino]methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide hydrochloride

Systemtic Name:N-[4-[[bis(azanyl)methylideneamino]methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide hydrochloride
Openeye Name:N-[4-(guanidinomethyl)phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide hydrochloride
CAS Name:N-[4-[(diaminomethylideneamino)methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-carboxamide hydrochloride
IUPAC Name:N-[4-[(diaminomethylideneamino)methyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide hydrochloride
Traditional Name:N-[4-(guanidinomethyl)phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carboxamide hydrochloride
Formula: C26H27ClN4O2
MolecularWeight: 462.97118
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)CN=C(N)N.Cl


Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)CN=C(N)N.Cl


InChI

InChI=1S/C26H26N4O2.ClH/c1-17-2-6-19(7-3-17)20-8-11-24-22(14-20)15-21(12-13-32-24)25(31)30-23-9-4-18(5-10-23)16-29-26(27)28;/h2-11,14-15H,12-13,16H2,1H3,(H,30,31)(H4,27,28,29);1H


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