4-[2-[5-(4-methoxyphenyl)-2-methyl-1,5-dihydro-2,4-benzodiazepin-3-yl]ethyl]aniline

Systemtic Name: 4-[2-[5-(4-methoxyphenyl)-2-methyl-1,5-dihydro-2,4-benzodiazepin-3-yl]ethyl]aniline Openeye Name: 4-[2-[5-(4-methoxyphenyl)-2-methyl-1,5-dihydro-2,4-benzodiazepin-3-yl]ethyl]aniline CAS Name: 4-[2-[5-(4-methoxyphenyl)-2-methyl-1,5-dihydro-2,4-benzodiazepin-3-yl]ethyl]aniline IUPAC Name: 4-[2-[5-(4-methoxyphenyl)-2-methyl-1,5-dihydro-2,4-benzodiazepin-3-yl]ethyl]aniline Traditional Name: [4-[2-[5-(4-methoxyphenyl)-2-methyl-1,5-dihydro-2,4-benzodiazepin-3-yl]ethyl]phenyl]amine Formula: C25H27N3O MolecularWeight: 385.50138

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=CC=CC=C2C(N=C1CCC3=CC=C(C=C3)N)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1CC2=CC=CC=C2C(N=C1CCC3=CC=C(C=C3)N)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H27N3O/c1-28-17-20-5-3-4-6-23(20)25(19-10-14-22(29-2)15-11-19)27-24(28)16-9-18-7-12-21(26)13-8-18/h3-8,10-15,25H,9,16-17,26H2,1-2H3