4-[(E)-but-2-enyl]-6-chloranyl-3-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-amine

Systemtic Name: 4-[(E)-but-2-enyl]-6-chloranyl-3-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-amine Openeye Name: 4-[(E)-but-2-enyl]-6-chloro-3-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-amine CAS Name: 4-[(E)-but-2-enyl]-6-chloro-3-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-amine IUPAC Name: 4-[(E)-but-2-enyl]-6-chloro-3-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-amine Traditional Name: [4-[(E)-but-2-enyl]-6-chloro-3-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-yl]amine Formula: C14H20ClN3 MolecularWeight: 265.7817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/CN1CC2=C(C=CC(=C2NCC1C)N)Cl

InChI

InChI=1S/C14H20ClN3/c1-3-4-7-18-9-11-12(15)5-6-13(16)14(11)17-8-10(18)2/h3-6,10,17H,7-9,16H2,1-2H3/b4-3+