(3S)-8-methoxy-3-methyl-4-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-amine

Systemtic Name: (3S)-8-methoxy-3-methyl-4-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-amine Openeye Name: (3S)-4-benzyl-8-methoxy-3-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-amine CAS Name: (3S)-8-methoxy-3-methyl-4-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-amine IUPAC Name: (3S)-4-benzyl-8-methoxy-3-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-amine Traditional Name: [(3S)-4-benzyl-8-methoxy-3-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-yl]amine Formula: C18H23N3O MolecularWeight: 297.39472

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC2=C(CN1CC3=CC=CC=C3)C=CC(=C2N)OC

Isomeric SMILES

C[C@H]1CNC2=C(CN1CC3=CC=CC=C3)C=CC(=C2N)OC

InChI

InChI=1S/C18H23N3O/c1-13-10-20-18-15(8-9-16(22-2)17(18)19)12-21(13)11-14-6-4-3-5-7-14/h3-9,13,20H,10-12,19H2,1-2H3/t13-/m0/s1