[4-(1H-indol-5-yl)-3-[4-[methyl(propyl)amino]butoxy]phenyl]-[(2S)-2-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl]methanone

Systemtic Name: [4-(1H-indol-5-yl)-3-[4-[methyl(propyl)amino]butoxy]phenyl]-[(2S)-2-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl]methanone Openeye Name: [4-(1H-indol-5-yl)-3-[4-[methyl(propyl)amino]butoxy]phenyl]-[(2S)-2-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl]methanone CAS Name: [4-(1H-indol-5-yl)-3-[4-[methyl(propyl)amino]butoxy]phenyl]-[(2S)-2-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl]methanone IUPAC Name: [4-(1H-indol-5-yl)-3-[4-[methyl(propyl)amino]butoxy]phenyl]-[(2S)-2-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl]methanone Traditional Name: [4-(1H-indol-5-yl)-3-[4-[methyl(propyl)amino]butoxy]phenyl]-[(2S)-2-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl]methanone Formula: C33H40N4O2 MolecularWeight: 524.6963

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)CCCCOC1=C(C=CC(=C1)C(=O)N2CCC(NC3=CC=CC=C32)C)C4=CC5=C(C=C4)NC=C5

Isomeric SMILES

CCCN(C)CCCCOC1=C(C=CC(=C1)C(=O)N2CC[C@@H](NC3=CC=CC=C32)C)C4=CC5=C(C=C4)NC=C5

InChI

InChI=1S/C33H40N4O2/c1-4-18-36(3)19-7-8-21-39-32-23-27(11-13-28(32)25-12-14-29-26(22-25)15-17-34-29)33(38)37-20-16-24(2)35-30-9-5-6-10-31(30)37/h5-6,9-15,17,22-24,34-35H,4,7-8,16,18-21H2,1-3H3/t24-/m0/s1