3-(aminomethyl)-1-(3-azanylpropyl)-7-[bis(phenylmethyl)amino]-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-(aminomethyl)-1-(3-azanylpropyl)-7-[bis(phenylmethyl)amino]-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 3-(aminomethyl)-1-(3-aminopropyl)-7-(dibenzylamino)-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-(aminomethyl)-1-(3-aminopropyl)-7-[bis(phenylmethyl)amino]-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-(aminomethyl)-1-(3-aminopropyl)-7-(dibenzylamino)-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 3-(aminomethyl)-1-(3-aminopropyl)-7-(dibenzylamino)-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C33H35N5O MolecularWeight: 517.6639

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC4=C(C=C3)N(C(=O)C(N=C4C5=CC=CC=C5)CN)CCCN

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC4=C(C=C3)N(C(=O)C(N=C4C5=CC=CC=C5)CN)CCCN

InChI

InChI=1S/C33H35N5O/c34-19-10-20-38-31-18-17-28(37(23-25-11-4-1-5-12-25)24-26-13-6-2-7-14-26)21-29(31)32(27-15-8-3-9-16-27)36-30(22-35)33(38)39/h1-9,11-18,21,30H,10,19-20,22-24,34-35H2