(3S)-6-chloranyl-3-methyl-4-(3-methylbut-2-enyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-amine

Systemtic Name: (3S)-6-chloranyl-3-methyl-4-(3-methylbut-2-enyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-amine Openeye Name: (3S)-6-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-amine CAS Name: (3S)-6-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-amine IUPAC Name: (3S)-6-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-amine Traditional Name: [(3S)-6-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-yl]amine Formula: C15H22ClN3 MolecularWeight: 279.80828

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC2=C(C=CC(=C2CN1CC=C(C)C)Cl)N

Isomeric SMILES

C[C@H]1CNC2=C(C=CC(=C2CN1CC=C(C)C)Cl)N

InChI

InChI=1S/C15H22ClN3/c1-10(2)6-7-19-9-12-13(16)4-5-14(17)15(12)18-8-11(19)3/h4-6,11,18H,7-9,17H2,1-3H3/t11-/m0/s1