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

Systemtic Name: (3S)-6-chloranyl-4-(3-ethylpent-2-enyl)-3-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-amine Openeye Name: (3S)-6-chloro-4-(3-ethylpent-2-enyl)-3-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-amine CAS Name: (3S)-6-chloro-4-(3-ethylpent-2-enyl)-3-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-amine IUPAC Name: (3S)-6-chloro-4-(3-ethylpent-2-enyl)-3-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-amine Traditional Name: [(3S)-6-chloro-4-(3-ethylpent-2-enyl)-3-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-yl]amine Formula: C17H26ClN3 MolecularWeight: 307.86144

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CCN1CC2=C(C=CC(=C2NCC1C)N)Cl)CC

Isomeric SMILES

CCC(=CCN1CC2=C(C=CC(=C2NC[C@@H]1C)N)Cl)CC

InChI

InChI=1S/C17H26ClN3/c1-4-13(5-2)8-9-21-11-14-15(18)6-7-16(19)17(14)20-10-12(21)3/h6-8,12,20H,4-5,9-11,19H2,1-3H3/t12-/m0/s1