3-(aminomethyl)-N-[(E)-6-azanyl-1-naphthalen-2-yl-5-(naphthalen-2-ylmethyl)-6-oxidanylidene-hex-3-en-2-yl]benzamide

Systemtic Name: 3-(aminomethyl)-N-[(E)-6-azanyl-1-naphthalen-2-yl-5-(naphthalen-2-ylmethyl)-6-oxidanylidene-hex-3-en-2-yl]benzamide Openeye Name: N-[(E)-5-amino-1,4-bis(2-naphthylmethyl)-5-oxo-pent-2-enyl]-3-(aminomethyl)benzamide CAS Name: 3-(aminomethyl)-N-[(E)-6-amino-1-(2-naphthalenyl)-5-(2-naphthalenylmethyl)-6-oxohex-3-en-2-yl]benzamide IUPAC Name: 3-(aminomethyl)-N-[(E)-6-amino-1-naphthalen-2-yl-5-(naphthalen-2-ylmethyl)-6-oxohex-3-en-2-yl]benzamide Traditional Name: N-[(E)-5-amino-5-keto-1,4-bis(2-naphthylmethyl)pent-2-enyl]-3-(aminomethyl)benzamide Formula: C35H33N3O2 MolecularWeight: 527.65542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CC(C=CC(CC3=CC4=CC=CC=C4C=C3)NC(=O)C5=CC(=CC=C5)CN)C(=O)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CC(/C=C/C(CC3=CC4=CC=CC=C4C=C3)NC(=O)C5=CC(=CC=C5)CN)C(=O)N

InChI

InChI=1S/C35H33N3O2/c36-23-26-6-5-11-32(21-26)35(40)38-33(22-25-13-15-28-8-2-4-10-30(28)19-25)17-16-31(34(37)39)20-24-12-14-27-7-1-3-9-29(27)18-24/h1-19,21,31,33H,20,22-23,36H2,(H2,37,39)(H,38,40)/b17-16+