4-[(4-methoxynaphthalen-1-yl)methyl]-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-[(4-methoxynaphthalen-1-yl)methyl]-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[(4-methoxy-1-naphthyl)methyl]-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[(4-methoxy-1-naphthalenyl)methyl]-7-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[(4-methoxynaphthalen-1-yl)methyl]-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-[(4-methoxy-1-naphthyl)methyl]-7-[[4-(2-pyrimidyl)piperazino]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C30H33N5O2 MolecularWeight: 495.61532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)CN3CCOC4=C(C3)C=C(C=C4)CN5CCN(CC5)C6=NC=CC=N6

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)CN3CCOC4=C(C3)C=C(C=C4)CN5CCN(CC5)C6=NC=CC=N6

InChI

InChI=1S/C30H33N5O2/c1-36-29-10-8-24(26-5-2-3-6-27(26)29)21-34-17-18-37-28-9-7-23(19-25(28)22-34)20-33-13-15-35(16-14-33)30-31-11-4-12-32-30/h2-12,19H,13-18,20-22H2,1H3