N-[(7-carbamimidoylnaphthalen-2-yl)methyl]-N-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)phenyl]ethanamide

Systemtic Name: N-[(7-carbamimidoylnaphthalen-2-yl)methyl]-N-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)phenyl]ethanamide Openeye Name: N-[(7-carbamimidoyl-2-naphthyl)methyl]-N-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)phenyl]acetamide CAS Name: N-[(7-carbamimidoyl-2-naphthalenyl)methyl]-N-[4-[4-(1-iminoethyl)-1,4-diazepan-1-yl]phenyl]acetamide IUPAC Name: N-[(7-carbamimidoylnaphthalen-2-yl)methyl]-N-[4-(4-ethanimidoyl-1,4-diazepan-1-yl)phenyl]acetamide Traditional Name: N-[4-(4-acetimidoyl-1,4-diazepan-1-yl)phenyl]-N-[(7-amidino-2-naphthyl)methyl]acetamide Formula: C27H32N6O MolecularWeight: 456.58258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCCN(CC1)C2=CC=C(C=C2)N(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)C

Isomeric SMILES

CC(=N)N1CCCN(CC1)C2=CC=C(C=C2)N(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)C

InChI

InChI=1S/C27H32N6O/c1-19(28)31-12-3-13-32(15-14-31)25-8-10-26(11-9-25)33(20(2)34)18-21-4-5-22-6-7-23(27(29)30)17-24(22)16-21/h4-11,16-17,28H,3,12-15,18H2,1-2H3,(H3,29,30)